3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid

C9H11BrO2S — CID 62738842

IUPAC3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C9H11BrO2S/c1-9(2,8(11)12)5-6-3-4-7(10)13-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyGBRWGZXADNQJSY-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.16
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid

3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid (PubChem CID 62738842) has the molecular formula C9H11BrO2S and a molecular weight of 263.16 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid
PubChem CID62738842
Molecular FormulaC9H11BrO2S
Molecular Weight263.16 g/mol
Exact Mass261.97
IUPAC Name3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C9H11BrO2S/c1-9(2,8(11)12)5-6-3-4-7(10)13-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyGBRWGZXADNQJSY-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid (CID 62738842) is 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid is CC(C)(Cc1ccc(Br)s1)C(=O)O.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid?
The InChIKey is GBRWGZXADNQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2S/c1-9(2,8(11)12)5-6-3-4-7(10)13-6/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid?
3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid has a molecular weight of 263.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 62738842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).